propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate

C11H16N2O3 — CID 80580433

IUPACpropan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate
SMILESCC(C)OC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H16N2O3/c1-8(2)16-10(14)7-12-5-6-13(11(12)15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyUUWRVADQQKIIBU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.94
Rot. Bonds4

About propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate

propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate (PubChem CID 80580433) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate
PubChem CID80580433
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namepropan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate
SMILESCC(C)OC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C11H16N2O3/c1-8(2)16-10(14)7-12-5-6-13(11(12)15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyUUWRVADQQKIIBU-UHFFFAOYSA-N
XLogP0.94
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate (CID 80580433) is propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate is CC(C)OC(=O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
The InChIKey is UUWRVADQQKIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(2)16-10(14)7-12-5-6-13(11(12)15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate is sourced from PubChem (CID 80580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).